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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:54 UTC
Update Date2025-03-21 18:41:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136117
Frequency18.4
Structure
Chemical FormulaC17H20O8
Molecular Mass352.1158
SMILESO=C1CCC(Cc2cccc(OC3OC(C(=O)O)CC(O)C3O)c2)O1
InChI KeyHHYRAIWFUAHMGY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • gamma butyrolactones
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • acetal
  • oxane
  • 1,2-diol
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound